3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol

C17H27NO2 — CID 65107986

IUPAC3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC(c2cccc(OC)c2)C1
InChIInChI=1S/C17H27NO2/c1-4-17(19,5-2)12-18-15-9-14(10-15)13-7-6-8-16(11-13)20-3/h6-8,11,14-15,18-19H,4-5,9-10,12H2,1-3H3
InChIKeyJGMXXWDTFZMJJI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.08
Rot. Bonds7

About 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol

3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol (PubChem CID 65107986) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
PubChem CID65107986
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CC(c2cccc(OC)c2)C1
InChIInChI=1S/C17H27NO2/c1-4-17(19,5-2)12-18-15-9-14(10-15)13-7-6-8-16(11-13)20-3/h6-8,11,14-15,18-19H,4-5,9-10,12H2,1-3H3
InChIKeyJGMXXWDTFZMJJI-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol with MolForge

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Related Compounds

N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol
CID 65108444
2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756110
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]benzoic acid
CID 122035121
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
CID 43634854
2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 104530190
2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633801
2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol
CID 106434840

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol (CID 65107986) is 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1CC(c2cccc(OC)c2)C1.
What is the InChIKey of 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol?
The InChIKey is JGMXXWDTFZMJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-17(19,5-2)12-18-15-9-14(10-15)13-7-6-8-16(11-13)20-3/h6-8,11,14-15,18-19H,4-5,9-10,12H2,1-3H3.
What are the key properties of 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol?
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol has a molecular weight of 277.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 65107986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).